[ase-users] let calculator just generate input files
Johannes Wagner
jowagner at gfz-potsdam.de
Fri Aug 16 13:07:42 CEST 2019
Hi all!
maybe I missed it in the docs, but is there a way to let my calc object
just generate the input files but don't run the calculator executable?
what I am trying to do is to generate several folders with ready to go
calculations but give those to the LSF of our cluster, let them run and
give the results back to ase.
all the best and a have good weekend!
--
Dr rer nat Johannes Wagner
Section 3.6
Chemistry and Physics of Earth Materials
Helmholtz-Zentrum Potsdam
Deutsches GeoForschungsZentrum - GFZ
Telegrafenberg, D-14473 Potsdam
Germany
Tel +49(0)331-288-27558
D225
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